Optical properties of graphene quantum dots: the role of chiral symmetry

Abstract

We analyse the electronic and optical properties of graphene quantum dots (GQD) using accurate \textit{ab initio} many-body $GW$ and Bethe-Salpeter calculations. We show that most pristine GQD, including structures with irregular shapes, are characterized by dark low energy singlet excitations that quench fluorescence. We rationalizqe this property by exploiting the chiral symmetry of the low energy electronic states in graphene. Edge \textit{sp}${}^3$ functionalization is shown to efficiently brighten these low lying excitations by distorting the \textit{sp}${}^2$ backbone planar symmetry. Such findings reveal an original indirect scenario for the influence of functionalization on the photoluminescence properties.